3KK9
CaMKII Substrate Complex B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | .9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.708, 60.470, 70.243 |
Unit cell angles | 90.00, 93.92, 90.00 |
Refinement procedure
Resolution | 45.782 - 3.206 |
R-factor | 0.272 |
Rwork | 0.270 |
R-free | 0.32900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.798 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | PHASER (2.1.1) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.310 |
High resolution limit [Å] | 3.200 | 3.200 |
Number of reflections | 5171 | |
<I/σ(I)> | 9.93 | 2.3 |
Completeness [%] | 97.7 | 87.7 |
Redundancy | 3.5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 15% 2-methyl-2,4-pentanediol, .1M potassium chloride, 5mM magnesium suflate, 50mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, pH 7.0, VAPOR DIFFUSION, temperature 293K |